{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.341391 0.170696 0.212947 ] [ 0.829304 0.170696 0.212947 ] [ 0.829304 0.658609 0.212947 ] [ 0.170696 0.341391 0.712947 ] [ 0.170696 0.829304 0.712947 ] [ 0.658609 0.829304 0.712947 ] [ 0.666667 0.333333 0.490552 ] [ 0.333333 0.666667 0.990552 ] [ 0.344095 0.172048 0.596905 ] [ 0.522012 0.044024 0.345193 ] [ 0.666667 0.333333 0.108842 ] [ 0 0 0.293326 ] [ 0 0 0.793326 ] [ 0.827952 0.172048 0.596905 ] [ 0.522012 0.477988 0.345193 ] [ 0.955976 0.477988 0.345193 ] [ 0.172048 0.344095 0.096905 ] [ 0.827952 0.655905 0.596905 ] [ 0.044024 0.522012 0.845193 ] [ 0.477988 0.522012 0.845193 ] [ 0.333333 0.666667 0.608842 ] [ 0.172048 0.827952 0.096905 ] [ 0.477988 0.955976 0.845193 ] [ 0.655905 0.827952 0.096905 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.98010077 "source-unit" "angstrom" } "c" { "source-value" 9.18019856 "source-unit" "angstrom" } }